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CHEBI:220466 - Endopyrrole A

ChEBI IDCHEBI:220466
ChEBI NameEndopyrrole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H67N9O13
Net Charge0
Average Mass1002.136
Monoisotopic Mass1001.48583
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccn1)C(C)C)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O[C@@H]1C)C(C)C
InChIInChI=1S/C50H67N9O13/c1-25(2)38(55-45(66)37-11-9-21-59(37)49(70)40(27(5)6)57-42(63)33-10-8-20-51-33)46(67)56-39(26(3)4)47(68)58-41-28(7)72-50(71)35(23-30-14-18-32(62)19-15-30)53-43(64)34(22-29-12-16-31(61)17-13-29)52-44(65)36(24-60)54-48(41)69/h8,10,12-20,25-28,34-41,51,60-62H,9,11,21-24H2,1-7H3,(H,52,65)(H,53,64)(H,54,69)(H,55,66)(H,56,67)(H,57,63)(H,58,68)/t28-,34+,35+,36-,37+,38+,39-,40+,41+/m1/s1
InChIKeyKRMWEQCPKUMYBI-DKKFUSLWSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (31283172)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Endopyrrole A (CHEBI:220466) is a cyclodepsipeptide (CHEBI:35213)